ethane;1-(2-ethyltetrazol-5-yl)propan-2-one

C8H16N4O — CID 145288441

IUPACethane;1-(2-ethyltetrazol-5-yl)propan-2-one
SMILESCC.CCn1nnc(CC(C)=O)n1
InChIInChI=1S/C6H10N4O.C2H6/c1-3-10-8-6(7-9-10)4-5(2)11;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyNAFYIHRTGIVXPM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.85
Rot. Bonds3

About ethane;1-(2-ethyltetrazol-5-yl)propan-2-one

ethane;1-(2-ethyltetrazol-5-yl)propan-2-one (PubChem CID 145288441) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;1-(2-ethyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Nameethane;1-(2-ethyltetrazol-5-yl)propan-2-one
PubChem CID145288441
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Nameethane;1-(2-ethyltetrazol-5-yl)propan-2-one
SMILESCC.CCn1nnc(CC(C)=O)n1
InChIInChI=1S/C6H10N4O.C2H6/c1-3-10-8-6(7-9-10)4-5(2)11;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyNAFYIHRTGIVXPM-UHFFFAOYSA-N
XLogP0.85
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethyltetrazol-5-yl)propan-2-one?
The IUPAC name of ethane;1-(2-ethyltetrazol-5-yl)propan-2-one (CID 145288441) is ethane;1-(2-ethyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for ethane;1-(2-ethyltetrazol-5-yl)propan-2-one?
The canonical SMILES for ethane;1-(2-ethyltetrazol-5-yl)propan-2-one is CC.CCn1nnc(CC(C)=O)n1.
What is the InChIKey of ethane;1-(2-ethyltetrazol-5-yl)propan-2-one?
The InChIKey is NAFYIHRTGIVXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O.C2H6/c1-3-10-8-6(7-9-10)4-5(2)11;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-ethyltetrazol-5-yl)propan-2-one?
ethane;1-(2-ethyltetrazol-5-yl)propan-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 145288441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).